[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol

C14H18Cl2O2 — CID 64749120

IUPAC[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2c(Cl)cc(Cl)cc2CO)CC1
InChIInChI=1S/C14H18Cl2O2/c1-9-2-4-12(5-3-9)18-14-10(8-17)6-11(15)7-13(14)16/h6-7,9,12,17H,2-5,8H2,1H3
InChIKeyMEJKFLSGCXZIPG-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.44
Rot. Bonds3

About [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol

[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol (PubChem CID 64749120) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
PubChem CID64749120
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
SMILESCC1CCC(Oc2c(Cl)cc(Cl)cc2CO)CC1
InChIInChI=1S/C14H18Cl2O2/c1-9-2-4-12(5-3-9)18-14-10(8-17)6-11(15)7-13(14)16/h6-7,9,12,17H,2-5,8H2,1H3
InChIKeyMEJKFLSGCXZIPG-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline
CID 113240227
(3,5-dichloro-2-cyclohexyloxyphenyl)methanamine
CID 43515648
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486026
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
(2,4,6-trichlorophenyl) 4-methylcyclohexane-1-carboxylate
CID 159654794
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The IUPAC name of [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol (CID 64749120) is [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol is CC1CCC(Oc2c(Cl)cc(Cl)cc2CO)CC1.
What is the InChIKey of [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol?
The InChIKey is MEJKFLSGCXZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-9-2-4-12(5-3-9)18-14-10(8-17)6-11(15)7-13(14)16/h6-7,9,12,17H,2-5,8H2,1H3.
What are the key properties of [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol?
[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol has a molecular weight of 289.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol is sourced from PubChem (CID 64749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).